Hydrogenation-driven formation of local magnetic moments in FeO2Hx
Publication type: Journal Article
Publication date: 2018-10-29
scimago Q1
wos Q2
SJR: 1.303
CiteScore: 6.2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Abstract
The electronic and magnetic properties of recently discovered new important constituent of the Earth's lower mantle FeO2H were investigated by means of the density functional theory combined with the dynamical mean field theory (DFT+DMFT). Addition of the hydrogen to the parent FeO2 compound, which is an uncorrelated bad metal, destroys the most important ingredient of its electronic structure - O-O molecular orbitals. In effect physical properties of FeO2 and FeO2H turn to be completely different, FeO2H is a correlated metal with a mass renormalization, m*/m ~ 2, and magnetic moments on Fe ions become well localized with the Curie-Weiss type of uniform magnetic susceptibility.
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12
Total citations:
12
Citations from 2024:
1
(8%)
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Shorikov A. O. et al. Hydrogenation-driven formation of local magnetic moments in FeO2Hx // Physical Review B. 2018. Vol. 98. No. 16. 165145
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Shorikov A. O., Poteryaev A. I., Anisimov V., STRELTSOV S. V. Hydrogenation-driven formation of local magnetic moments in FeO2Hx // Physical Review B. 2018. Vol. 98. No. 16. 165145
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TY - JOUR
DO - 10.1103/physrevb.98.165145
UR - https://doi.org/10.1103/physrevb.98.165145
TI - Hydrogenation-driven formation of local magnetic moments in FeO2Hx
T2 - Physical Review B
AU - Shorikov, A. O.
AU - Poteryaev, Alexander I.
AU - Anisimov, V
AU - STRELTSOV, S. V.
PY - 2018
DA - 2018/10/29
PB - American Physical Society (APS)
IS - 16
VL - 98
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{2018_Shorikov,
author = {A. O. Shorikov and Alexander I. Poteryaev and V Anisimov and S. V. STRELTSOV},
title = {Hydrogenation-driven formation of local magnetic moments in FeO2Hx},
journal = {Physical Review B},
year = {2018},
volume = {98},
publisher = {American Physical Society (APS)},
month = {oct},
url = {https://doi.org/10.1103/physrevb.98.165145},
number = {16},
pages = {165145},
doi = {10.1103/physrevb.98.165145}
}